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Geometry for CH3NNCH3 ((Z)-1,2-Dimethyldiazene) 1A1 C2V

1910171554
InChI=1S/C2H6N2/c1-3-4-2/h1-2H3/b4-3- INChIKey=JCCAVOLDXDEODY-ARJAWSKDSA-N

mPW1PW91/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.6169 -0.7776   0.6169 -0.7776 0.0000
N2 0.0000 -0.6169 -0.7776   -0.6169 -0.7776 0.0000
C3 0.0000 1.3457 0.4968   1.3457 0.4968 0.0000
C4 0.0000 -1.3457 0.4968   -1.3457 0.4968 0.0000
H5 0.0000 2.4112 0.2726   2.4112 0.2726 0.0000
H6 0.0000 -2.4112 0.2726   -2.4112 0.2726 0.0000
H7 -0.8858 1.1047 1.0950   1.1047 1.0950 -0.8858
H8 0.8858 1.1047 1.0950   1.1047 1.0950 0.8858
H9 0.8858 -1.1047 1.0950   -1.1047 1.0950 0.8858
H10 -0.8858 -1.1047 1.0950   -1.1047 1.0950 -0.8858
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2337 1.4681 2.3400 2.0790 3.2050 2.1282 2.1282 2.6935 2.6935
N2 1.2337 2.3400 1.4681 3.2050 2.0790 2.6935 2.6935 2.1282 2.1282
C3 1.4681 2.3400 2.6914 1.0888 3.7635 1.0957 1.0957 2.6734 2.6734
C4 2.3400 1.4681 2.6914 3.7635 1.0888 2.6734 2.6734 1.0957 1.0957
H5 2.0790 3.2050 1.0888 3.7635 4.8223 1.7798 1.7798 3.7179 3.7179
H6 3.2050 2.0790 3.7635 1.0888 4.8223 3.7179 3.7179 1.7798 1.7798
H7 2.1282 2.6935 1.0957 2.6734 1.7798 3.7179 1.7717 2.8321 2.2095
H8 2.1282 2.6935 1.0957 2.6734 1.7798 3.7179 1.7717 2.2095 2.8321
H9 2.6935 2.1282 2.6734 1.0957 3.7179 1.7798 2.8321 2.2095 1.7717
H10 2.6935 2.1282 2.6734 1.0957 3.7179 1.7798 2.2095 2.8321 1.7717
Maximum atom distance is 4.8223Å between atoms H5 and H6.
picture of (Z)-1,2-Dimethyldiazene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 C4 119.765 N2 N1 C3 119.765
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 107.881 N1 C3 H7 111.392
N1 C3 H8 111.392 N2 C4 H6 107.881
N2 C4 H9 111.392 N2 C4 H10 111.392
H5 C3 H7 109.124 H5 C3 H8 109.124
H6 C4 H9 109.124 H6 C4 H10 109.124
H7 C3 H8 107.890 H9 C4 H10 107.890

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.